1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine

C17H32N2S — CID 63406369

IUPAC1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine
SMILESCCC(CC)CN(CC)C(c1ccc(C)s1)C(N)CC
InChIInChI=1S/C17H32N2S/c1-6-14(7-2)12-19(9-4)17(15(18)8-3)16-11-10-13(5)20-16/h10-11,14-15,17H,6-9,12,18H2,1-5H3
InChIKeyGZXCOXRKDWUCDN-UHFFFAOYSA-N
MW296.52 g/mol
LogP4.59
Rot. Bonds9

About 1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine

1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine (PubChem CID 63406369) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine
PubChem CID63406369
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC Name1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine
SMILESCCC(CC)CN(CC)C(c1ccc(C)s1)C(N)CC
InChIInChI=1S/C17H32N2S/c1-6-14(7-2)12-19(9-4)17(15(18)8-3)16-11-10-13(5)20-16/h10-11,14-15,17H,6-9,12,18H2,1-5H3
InChIKeyGZXCOXRKDWUCDN-UHFFFAOYSA-N
XLogP4.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-methylpropyl)-1-(5-methylthiophen-2-yl)-1-N-pentan-3-ylbutane-1,2-diamine
CID 79489989
2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol
CID 113475472
1-(2-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)butane-1,2-diamine
CID 63406104
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 63232892
1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine
CID 112657665
1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine
CID 65124391
N,3-diethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 105028432
2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 79067555
1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine
CID 63695121
2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473499
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methylthiophen-2-yl)butan-2-amine
CID 63537269
1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine
CID 79477887

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine (CID 63406369) is 1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine is CCC(CC)CN(CC)C(c1ccc(C)s1)C(N)CC.
What is the InChIKey of 1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine?
The InChIKey is GZXCOXRKDWUCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-6-14(7-2)12-19(9-4)17(15(18)8-3)16-11-10-13(5)20-16/h10-11,14-15,17H,6-9,12,18H2,1-5H3.
What are the key properties of 1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine?
1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine has a molecular weight of 296.52 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine is sourced from PubChem (CID 63406369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).